#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbx n ASP 2 N 0.00 2.73 -0.22 7.83 -0.08 -1.26 -4.31 116.55 121.25 2kbx n ASP 2 Ca 0.00 -1.88 -0.09 0.00 -1.51 0.00 0.00 54.79 51.31 2kbx n ASP 2 Cb 0.00 -0.13 0.03 0.00 2.34 0.00 0.00 41.12 43.36 2kbx n ASP 2 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2kbx h ASP 3 N 3.80 1.03 -0.38 1.67 3.32 -2.03 -2.85 116.42 120.98 2kbx h ASP 3 Ca 0.00 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 56.71 2kbx h ASP 3 Cb 0.83 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 2kbx h ASP 3 CO 0.00 1.06 -0.00 0.16 -1.72 0.00 0.00 179.24 178.74 2kbx h ILE 4 N 0.97 1.26 -0.27 0.35 -2.65 -1.95 0.26 117.51 115.48 2kbx h ILE 4 Ca 0.18 -1.00 0.04 0.00 1.03 0.00 0.00 64.86 65.11 2kbx h ILE 4 Cb 0.50 1.15 -0.03 0.00 -2.05 0.00 0.00 36.82 36.39 2kbx h ILE 4 CO 0.02 0.34 0.06 -0.26 0.03 0.00 0.00 178.15 178.34 2kbx h PHE 5 N 0.50 0.10 -0.05 0.16 0.04 -1.80 1.95 116.94 117.83 2kbx h PHE 5 Ca 0.11 0.02 -0.17 0.00 2.80 0.00 0.00 57.97 60.73 2kbx h PHE 5 Cb 0.47 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 2kbx h PHE 5 CO 0.04 0.03 -0.69 0.00 -0.60 0.00 0.00 178.31 177.08 2kbx h THR 6 N 0.17 1.41 -0.00 -1.55 1.03 -1.41 -2.60 112.91 109.97 2kbx h THR 6 Ca 0.13 -2.17 0.00 0.00 -0.01 0.00 0.00 66.41 64.35 2kbx h THR 6 Cb 0.12 2.14 0.00 0.00 -1.07 0.00 0.00 68.15 69.34 2kbx h THR 6 CO -0.16 0.64 -0.11 0.00 -0.01 0.00 0.00 175.52 175.88 2kbx n GLN 7 N -3.81 0.16 0.11 0.00 6.02 0.91 -3.54 117.38 117.22 2kbx n GLN 7 Ca -0.03 -0.03 -0.24 0.00 -0.01 0.00 0.00 57.00 56.69 2kbx n GLN 7 Cb 0.68 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 30.29 2kbx n GLN 7 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kbx h ARG 9 N 0.11 0.00 0.00 0.00 3.08 -1.56 -1.90 114.38 114.11 2kbx h ARG 9 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 2kbx h ARG 9 Cb 2.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.17 2kbx h ARG 9 CO 0.22 0.00 0.02 0.39 -1.07 0.00 0.00 179.97 179.53 2kbx n GLU 10 N -2.51 0.00 -0.10 0.04 1.02 -1.22 -4.55 120.64 113.33 2kbx n GLU 10 Ca -0.02 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2kbx n GLU 10 Cb 0.12 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2kbx n GLU 10 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kbx n GLY 11 N -0.96 0.90 2.33 0.62 0.00 -0.77 -4.95 105.19 102.35 2kbx n GLY 11 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2kbx n GLY 11 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kbx n ASN 12 N 0.00 8.18 0.14 1.61 3.02 -0.86 -4.62 115.26 122.73 2kbx n ASN 12 Ca 0.00 -2.54 0.11 0.00 -0.03 0.00 0.00 54.58 52.12 2kbx n ASN 12 Cb 0.00 -1.50 0.23 0.00 -0.61 0.00 0.00 39.78 37.90 2kbx n ASN 12 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kbx h ALA 13 N 5.05 2.27 0.18 5.41 0.00 -1.93 2.82 119.26 133.06 2kbx h ALA 13 Ca 0.80 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 55.40 2kbx h ALA 13 Cb 0.33 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.16 2kbx h ALA 13 CO 1.67 -1.18 -1.34 -0.39 0.00 0.00 0.00 179.25 178.01 2kbx h VAL 14 N 0.00 1.40 -0.05 0.00 -1.51 -1.93 -3.02 116.25 111.13 2kbx h VAL 14 Ca 0.17 -2.87 -0.15 0.00 -1.23 0.00 0.00 66.70 62.61 2kbx h VAL 14 Cb 2.17 2.97 -0.01 0.00 -2.13 0.00 0.00 31.29 34.29 2kbx h VAL 14 CO -0.00 0.85 -0.64 0.00 -1.23 0.00 0.00 177.57 176.55 2kbx h ALA 15 N 0.39 0.81 -0.21 5.19 0.00 0.47 -0.91 119.26 125.00 2kbx h ALA 15 Ca -0.19 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.04 2kbx h ALA 15 Cb 2.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.75 2kbx h ALA 15 CO 0.24 0.76 -0.31 -0.24 0.00 0.00 0.00 179.25 179.69 2kbx h VAL 16 N 0.15 1.33 -0.82 0.00 3.04 -1.49 -2.90 116.25 115.56 2kbx h VAL 16 Ca -0.01 -1.52 -0.02 0.00 -1.01 0.00 0.00 66.70 64.14 2kbx h VAL 16 Cb 1.16 1.80 -0.04 0.00 -2.01 0.00 0.00 31.29 32.20 2kbx h VAL 16 CO 0.10 0.47 0.45 -0.09 -1.01 0.00 0.00 177.57 177.49 2kbx h ARG 17 N 0.27 1.14 -0.30 4.17 2.43 -1.45 -2.00 114.38 118.64 2kbx h ARG 17 Ca 0.02 -0.13 0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2kbx h ARG 17 Cb 0.89 -0.22 -0.06 0.00 -0.42 0.00 0.00 29.97 30.16 2kbx h ARG 17 CO 0.07 0.84 -0.39 1.25 -1.51 0.00 0.00 179.97 180.23 2kbx h LEU 18 N 1.14 -1.30 -1.87 3.80 6.46 -0.96 0.50 115.31 123.08 2kbx h LEU 18 Ca 0.29 0.17 -0.03 0.00 -0.12 0.00 0.00 57.88 58.19 2kbx h LEU 18 Cb 0.03 0.53 -0.00 0.00 -0.73 0.00 0.00 40.66 40.49 2kbx h LEU 18 CO -0.05 -0.28 -0.13 4.11 -0.62 0.00 0.00 178.44 181.48 2kbx h TRP 19 N -0.27 0.00 -0.02 1.25 5.08 -1.42 -2.05 115.95 118.52 2kbx h TRP 19 Ca 0.05 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.91 2kbx h TRP 19 Cb 0.41 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.55 2kbx h TRP 19 CO -0.70 0.13 -0.49 1.25 -1.28 0.00 0.00 178.44 177.35 2kbx h LEU 20 N 0.00 0.06 -3.95 0.11 6.46 0.41 -3.16 115.31 115.24 2kbx h LEU 20 Ca -0.00 -0.03 -0.24 0.00 -0.12 0.00 0.00 57.88 57.50 2kbx h LEU 20 Cb 0.33 -0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 40.16 2kbx h LEU 20 CO 0.02 0.54 -0.13 -0.90 -0.62 0.00 0.00 178.44 177.35 2kbx n ASP 21 N -3.95 5.58 -4.72 1.25 5.68 0.14 -4.90 116.55 115.62 2kbx n ASP 21 Ca -0.02 -2.65 -0.42 0.00 -0.50 0.00 0.00 54.79 51.20 2kbx n ASP 21 Cb 0.52 -1.32 -0.03 0.00 -1.14 0.00 0.00 41.12 39.14 2kbx n ASP 21 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 2kbx s ASN 22 N 1.56 7.41 0.00 -1.12 3.04 -1.20 -4.90 114.94 119.73 2kbx s ASN 22 Ca 0.54 1.71 0.25 0.00 0.04 0.00 0.00 52.86 55.41 2kbx s ASN 22 Cb 0.29 -2.58 1.36 0.00 -1.54 0.00 0.00 41.25 38.78 2kbx s ASN 22 CO -0.05 -0.20 1.86 1.07 -3.04 0.00 0.00 177.10 176.74 2kbx n THR 23 N 3.52 0.13 -0.03 -5.21 5.66 -1.26 -2.86 114.28 114.24 2kbx n THR 23 Ca 0.05 0.03 0.02 0.00 -3.05 0.00 0.00 64.05 61.10 2kbx n THR 23 Cb 0.50 -0.63 -0.10 0.00 -1.55 0.00 0.00 70.33 68.55 2kbx n THR 23 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2kbx n GLU 24 N -1.18 0.94 -2.95 1.09 4.07 -1.26 -5.06 120.64 116.29 2kbx n GLU 24 Ca 0.15 -0.08 -0.12 0.00 -0.06 0.00 0.00 57.16 57.04 2kbx n GLU 24 Cb 0.16 -1.32 0.01 0.00 -0.06 0.00 0.00 31.44 30.23 2kbx n GLU 24 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2kbx n ASN 25 N -2.14 -7.57 0.00 4.31 5.03 -1.14 -4.96 115.26 108.79 2kbx n ASN 25 Ca -0.09 0.51 0.00 0.00 0.87 0.00 0.00 54.58 55.88 2kbx n ASN 25 Cb 0.54 -4.76 0.00 0.00 -1.02 0.00 0.00 39.78 34.54 2kbx n ASN 25 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2kbx n ASP 26 N -0.16 0.00 0.00 6.41 9.92 -1.26 -4.81 116.55 126.65 2kbx n ASP 26 Ca 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 2kbx n ASP 26 Cb 0.45 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.93 2kbx n ASP 26 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2kbx n LEU 27 N -1.40 0.00 -1.42 0.64 4.77 -1.26 -2.08 117.00 116.24 2kbx n LEU 27 Ca 0.00 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2kbx n LEU 27 Cb 0.00 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2kbx n LEU 27 CO 0.00 -0.29 0.72 0.59 -1.33 0.00 0.00 177.39 177.08 2kbx n ASN 28 N -1.26 3.94 -4.90 -1.43 4.13 -1.26 -4.84 115.26 109.63 2kbx n ASN 28 Ca 0.00 -2.04 -0.29 0.00 1.68 0.00 0.00 54.58 53.93 2kbx n ASN 28 Cb 0.09 -0.80 0.07 0.00 -1.54 0.00 0.00 39.78 37.60 2kbx n ASN 28 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kbx s GLN 29 N 0.28 2.41 0.36 3.52 0.00 -0.88 -4.93 119.66 120.42 2kbx s GLN 29 Ca 0.00 0.17 0.04 0.00 -0.00 0.00 0.00 55.36 55.57 2kbx s GLN 29 Cb 0.00 -2.04 -0.03 0.00 0.00 0.00 0.00 33.01 30.94 2kbx s GLN 29 CO 0.00 -1.25 0.16 0.20 0.00 0.00 0.00 175.29 174.39 2kbx s GLY 30 N -4.47 2.40 1.24 2.60 0.00 -1.26 -4.66 107.32 103.18 2kbx s GLY 30 Ca 0.60 -1.54 -0.21 0.00 0.00 0.00 0.00 44.72 43.56 2kbx s GLY 30 CO 0.49 -1.71 1.12 -0.35 0.00 0.00 0.00 173.10 172.65 2kbx s ASP 31 N -3.50 0.59 0.03 1.64 2.15 -1.03 -4.77 116.67 111.79 2kbx s ASP 31 Ca 0.30 0.50 0.24 0.00 0.43 0.00 0.00 52.55 54.02 2kbx s ASP 31 Cb 0.03 -0.64 0.99 0.00 -0.30 0.00 0.00 42.92 43.00 2kbx s ASP 31 CO 0.17 -4.31 1.75 0.47 -0.17 0.00 0.00 175.17 173.08 2kbx n ASP 32 N -4.87 0.11 0.01 -0.34 8.00 -1.26 -2.16 116.55 116.04 2kbx n ASP 32 Ca 0.15 0.52 0.11 0.00 0.71 0.00 0.00 54.79 56.28 2kbx n ASP 32 Cb 0.60 -0.54 -0.06 0.00 -0.02 0.00 0.00 41.12 41.09 2kbx n ASP 32 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2kbx n HIS 33 N -1.61 0.13 0.00 1.24 -0.00 -1.26 -4.98 115.22 108.74 2kbx n HIS 33 Ca 0.05 0.04 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 2kbx n HIS 33 Cb 0.29 -0.33 0.00 0.00 -0.00 0.00 0.00 29.99 29.95 2kbx n HIS 33 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kbx n GLY 34 N 1.38 1.31 3.70 1.57 0.00 -0.92 -4.80 105.19 107.43 2kbx n GLY 34 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2kbx n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kbx s PHE 35 N -2.00 3.55 0.35 1.61 0.40 -1.26 -4.63 117.98 116.00 2kbx s PHE 35 Ca 0.00 1.44 0.08 0.00 -0.60 0.00 0.00 56.93 57.85 2kbx s PHE 35 Cb 0.00 -3.02 -0.03 0.00 0.51 0.00 0.00 43.02 40.48 2kbx s PHE 35 CO 0.00 -0.08 0.24 -1.54 0.70 0.00 0.00 175.22 174.54 2kbx s SER 36 N 1.00 5.00 0.23 1.36 1.04 -1.26 -2.46 113.70 118.61 2kbx s SER 36 Ca 0.44 -0.65 -0.07 0.00 0.48 0.00 0.00 55.95 56.15 2kbx s SER 36 Cb -0.18 -0.82 0.30 0.00 0.10 0.00 0.00 66.02 65.42 2kbx s SER 36 CO 0.20 -0.37 1.81 -0.65 0.98 0.00 0.00 173.24 175.21 2kbx h PRO 37 N 1.35 0.74 -0.98 4.02 0.10 -1.92 -1.13 132.00 134.18 2kbx h PRO 37 Ca -0.44 -0.04 0.05 0.00 0.10 0.00 0.00 66.00 65.67 2kbx h PRO 37 Cb 1.25 -0.17 -0.06 0.00 0.10 0.00 0.00 31.00 32.13 2kbx h PRO 37 CO 0.61 0.49 0.63 -0.07 0.10 0.00 0.00 178.00 179.76 2kbx h LEU 38 N 0.76 1.03 0.15 2.35 3.38 -1.97 0.28 115.31 121.29 2kbx h LEU 38 Ca 0.34 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.32 2kbx h LEU 38 Cb 0.24 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2kbx h LEU 38 CO -0.20 0.68 -0.42 0.45 0.09 0.00 0.00 178.44 179.03 2kbx h HIS 39 N 1.18 -1.22 -0.11 1.13 3.86 -1.60 1.76 115.15 120.16 2kbx h HIS 39 Ca 0.41 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.66 2kbx h HIS 39 Cb 0.10 0.51 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 2kbx h HIS 39 CO -0.01 -0.49 0.03 -1.49 0.86 0.00 0.00 177.93 176.83 2kbx h TRP 40 N -0.64 0.06 0.09 2.45 6.55 -1.29 -2.69 115.95 120.47 2kbx h TRP 40 Ca -0.01 0.01 0.01 0.00 0.95 0.00 0.00 58.89 59.84 2kbx h TRP 40 Cb 0.63 -0.01 -0.01 0.00 -0.86 0.00 0.00 29.16 28.90 2kbx h TRP 40 CO -0.39 0.03 -0.10 0.00 -1.05 0.00 0.00 178.44 176.93 2kbx h ALA 41 N 1.07 -0.19 -1.05 1.49 0.00 0.02 -1.72 119.26 118.88 2kbx h ALA 41 Ca 0.05 -0.02 0.28 0.00 0.00 0.00 0.00 54.91 55.21 2kbx h ALA 41 Cb 0.03 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 17.86 2kbx h ALA 41 CO -0.05 -0.62 0.66 0.00 0.00 0.00 0.00 179.25 179.24 2kbx h ARG 43 N 0.42 -0.55 0.16 0.00 2.47 -1.01 -3.30 114.38 112.56 2kbx h ARG 43 Ca 0.63 0.04 0.01 0.00 -1.26 0.00 0.00 59.98 59.39 2kbx h ARG 43 Cb 1.52 0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 29.93 2kbx h ARG 43 CO -0.36 -0.24 -0.44 0.93 0.56 0.00 0.00 179.97 180.41 2kbx h GLU 44 N -0.93 -0.65 0.00 0.04 5.08 -0.59 -3.47 114.58 114.07 2kbx h GLU 44 Ca -0.06 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2kbx h GLU 44 Cb 0.56 0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2kbx h GLU 44 CO 0.10 -0.43 0.00 0.41 -1.00 0.00 0.00 179.01 178.09 2kbx n GLY 45 N -1.42 1.23 3.07 -3.84 0.00 -0.30 -5.01 105.19 98.92 2kbx n GLY 45 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 2kbx n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kbx n ARG 46 N 0.00 1.09 -0.31 1.61 1.74 -1.26 -4.70 116.66 114.83 2kbx n ARG 46 Ca 0.00 -1.40 0.06 0.00 -0.77 0.00 0.00 57.85 55.74 2kbx n ARG 46 Cb 0.00 -2.61 0.14 0.00 -1.02 0.00 0.00 32.46 28.97 2kbx n ARG 46 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2kbx n SER 47 N 6.81 -0.29 0.00 0.55 2.88 -1.26 -2.48 113.62 119.82 2kbx n SER 47 Ca 0.41 1.50 0.00 0.00 -1.33 0.00 0.00 58.87 59.46 2kbx n SER 47 Cb 0.30 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.29 2kbx n SER 47 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kbx n ALA 48 N -3.63 0.00 -0.32 -1.46 0.00 -1.26 0.03 120.51 113.87 2kbx n ALA 48 Ca 0.15 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.77 2kbx n ALA 48 Cb 0.46 0.17 0.35 0.00 0.00 0.00 0.00 19.45 20.43 2kbx n ALA 48 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2kbx n VAL 49 N -0.68 -0.40 0.12 0.00 0.24 -1.04 -0.30 118.33 116.28 2kbx n VAL 49 Ca 0.00 2.06 -0.13 0.00 -2.04 0.00 0.00 64.34 64.23 2kbx n VAL 49 Cb 0.00 -3.08 -0.07 0.00 -1.47 0.00 0.00 33.84 29.22 2kbx n VAL 49 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 2kbx h VAL 50 N 0.00 0.74 -0.28 3.34 2.07 -0.99 -2.24 116.25 118.89 2kbx h VAL 50 Ca 0.64 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.22 2kbx h VAL 50 Cb 1.44 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 31.88 2kbx h VAL 50 CO -0.86 0.00 -0.18 -0.33 0.02 0.00 0.00 177.57 176.22 2kbx h GLU 51 N -0.28 -0.15 0.00 1.57 5.08 0.27 0.16 114.58 121.23 2kbx h GLU 51 Ca -0.01 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2kbx h GLU 51 Cb 0.25 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2kbx h GLU 51 CO -0.01 -0.10 -0.08 0.00 -1.00 0.00 0.00 179.01 177.82 2kbx h MET 52 N -0.16 0.00 0.21 2.33 -0.00 -1.40 -2.64 114.93 113.27 2kbx h MET 52 Ca 0.15 0.00 -0.34 0.00 -0.00 0.00 0.00 59.70 59.51 2kbx h MET 52 Cb 0.39 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 32.01 2kbx h MET 52 CO -0.38 0.08 -1.59 1.25 -0.00 0.00 0.00 176.91 176.28 2kbx h LEU 53 N 0.00 0.69 -0.60 -0.10 7.12 -0.42 -3.01 115.31 119.00 2kbx h LEU 53 Ca -0.00 -0.86 0.11 0.00 0.13 0.00 0.00 57.88 57.26 2kbx h LEU 53 Cb 0.33 -0.23 -0.12 0.00 -0.53 0.00 0.00 40.66 40.12 2kbx h LEU 53 CO 0.01 1.70 -0.25 0.40 -0.13 0.00 0.00 178.44 180.17 2kbx h ILE 54 N 0.12 0.26 0.00 4.05 1.08 -0.38 0.05 117.51 122.68 2kbx h ILE 54 Ca -0.29 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.17 2kbx h ILE 54 Cb 2.12 0.26 -0.00 0.00 -3.07 0.00 0.00 36.82 36.12 2kbx h ILE 54 CO 0.22 0.00 -0.11 0.24 -0.69 0.00 0.00 178.15 177.81 2kbx h MET 55 N -0.10 0.00 -0.12 2.37 2.86 -1.69 -3.14 114.93 115.11 2kbx h MET 55 Ca 0.27 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.94 2kbx h MET 55 Cb 0.52 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 2kbx h MET 55 CO -0.66 0.08 0.38 -0.09 1.06 0.00 0.00 176.91 177.68 2kbx h ARG 56 N 0.00 0.00 0.00 1.72 9.65 -0.83 -3.42 114.38 121.50 2kbx h ARG 56 Ca -0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2kbx h ARG 56 Cb 1.06 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 2kbx h ARG 56 CO 0.01 0.00 0.00 0.41 2.80 0.00 0.00 179.97 183.19 2kbx n GLY 57 N -1.31 1.39 3.50 2.80 0.00 -1.21 -5.10 105.19 105.27 2kbx n GLY 57 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2kbx n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbx n ALA 58 N -0.05 -2.34 -2.70 4.61 0.00 -1.19 -4.97 120.51 113.88 2kbx n ALA 58 Ca 0.00 -0.89 -0.44 0.00 0.00 0.00 0.00 53.44 52.11 2kbx n ALA 58 Cb 0.00 -1.96 -0.09 0.00 0.00 0.00 0.00 19.45 17.40 2kbx n ALA 58 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kbx s ARG 59 N -4.22 2.96 0.00 0.00 3.03 -1.26 -4.92 118.95 114.55 2kbx s ARG 59 Ca 0.64 -1.20 0.24 0.00 2.03 0.00 0.00 55.73 57.44 2kbx s ARG 59 Cb -0.22 -4.05 0.84 0.00 -1.03 0.00 0.00 34.95 30.49 2kbx s ARG 59 CO 0.63 -0.89 1.61 -0.89 -1.13 0.00 0.00 175.30 174.63 2kbx n ILE 60 N 5.17 0.14 1.01 4.99 5.41 -1.26 -3.79 119.36 131.04 2kbx n ILE 60 Ca -0.12 -0.33 0.11 0.00 1.00 0.00 0.00 62.75 63.42 2kbx n ILE 60 Cb 0.45 0.46 0.03 0.00 -0.71 0.00 0.00 39.64 39.88 2kbx n ILE 60 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 2kbx n ASN 61 N 0.33 2.17 -4.65 4.38 5.03 -1.26 -4.87 115.26 116.39 2kbx n ASN 61 Ca 0.17 -1.58 -0.44 0.00 0.87 0.00 0.00 54.58 53.60 2kbx n ASN 61 Cb 0.35 0.38 -0.02 0.00 -1.02 0.00 0.00 39.78 39.47 2kbx n ASN 61 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 2kbx n VAL 62 N 0.20 1.65 -4.13 2.41 0.24 -1.25 -4.99 118.33 112.47 2kbx n VAL 62 Ca 0.10 -0.41 -0.15 0.00 -2.04 0.00 0.00 64.34 61.84 2kbx n VAL 62 Cb 0.49 -1.34 -0.13 0.00 -1.47 0.00 0.00 33.84 31.39 2kbx n VAL 62 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 2kbx s MET 63 N -1.31 0.54 0.58 7.34 0.00 -1.26 -4.37 119.30 120.83 2kbx s MET 63 Ca 0.61 -0.55 -0.17 0.00 0.00 0.00 0.00 55.69 55.58 2kbx s MET 63 Cb -0.64 -0.42 -0.04 0.00 0.00 0.00 0.00 34.83 33.73 2kbx s MET 63 CO 0.58 0.10 1.10 1.21 0.00 0.00 0.00 175.02 178.00 2kbx s ASN 64 N -0.98 5.61 0.00 1.11 3.84 -0.96 -4.83 114.94 118.72 2kbx s ASN 64 Ca -0.04 2.02 0.00 0.00 0.21 0.00 0.00 52.86 55.05 2kbx s ASN 64 Cb -0.07 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.07 2kbx s ASN 64 CO 0.00 -1.29 0.76 -2.11 -2.79 0.00 0.00 177.10 171.67 2kbx n ARG 65 N -1.76 0.00 -2.28 0.43 0.00 -1.26 -1.29 116.66 110.49 2kbx n ARG 65 Ca 0.10 0.27 -0.25 0.00 -0.00 0.00 0.00 57.85 57.98 2kbx n ARG 65 Cb 0.52 -1.51 0.01 0.00 -0.00 0.00 0.00 32.46 31.48 2kbx n ARG 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2kbx n GLY 66 N -1.26 6.03 3.17 2.89 0.00 -1.26 -5.01 105.19 109.75 2kbx n GLY 66 Ca 0.00 -2.67 -0.09 0.00 0.00 0.00 0.00 46.02 43.26 2kbx n GLY 66 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2kbx n ASP 67 N -0.58 -6.63 -3.18 1.61 5.68 -0.42 -4.99 116.55 108.05 2kbx n ASP 67 Ca 0.40 0.44 0.02 0.00 -0.50 0.00 0.00 54.79 55.15 2kbx n ASP 67 Cb 0.81 -2.36 -0.01 0.00 -1.14 0.00 0.00 41.12 38.42 2kbx n ASP 67 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2kbx s ASP 68 N -1.28 -1.51 0.54 -1.12 -1.08 -1.26 -4.86 116.67 106.10 2kbx s ASP 68 Ca 0.10 -0.53 -0.11 0.00 -0.52 0.00 0.00 52.55 51.49 2kbx s ASP 68 Cb -0.01 1.93 -0.05 0.00 -1.46 0.00 0.00 42.92 43.33 2kbx s ASP 68 CO 0.35 -0.20 0.94 0.42 0.52 0.00 0.00 175.17 177.21 2kbx s THR 69 N 2.09 4.72 0.29 1.71 -4.23 -1.26 -2.28 115.64 116.68 2kbx s THR 69 Ca 0.15 0.79 0.03 0.00 -1.18 0.00 0.00 61.69 61.47 2kbx s THR 69 Cb -0.05 -3.82 0.29 0.00 1.34 0.00 0.00 72.50 70.26 2kbx s THR 69 CO -0.12 -0.91 1.67 -0.65 -0.54 0.00 0.00 174.62 174.07 2kbx h PRO 70 N 0.25 0.29 -0.24 3.99 0.10 -1.90 -0.97 132.00 133.52 2kbx h PRO 70 Ca -0.46 -0.02 0.06 0.00 0.10 0.00 0.00 66.00 65.69 2kbx h PRO 70 Cb 1.19 -0.06 -0.07 0.00 0.10 0.00 0.00 31.00 32.15 2kbx h PRO 70 CO 0.62 0.19 -0.34 -0.07 0.10 0.00 0.00 178.00 178.50 2kbx h LEU 71 N 0.30 -1.10 0.05 2.35 4.07 -1.95 1.51 115.31 120.53 2kbx h LEU 71 Ca 0.55 0.17 0.00 0.00 0.08 0.00 0.00 57.88 58.68 2kbx h LEU 71 Cb 1.08 0.48 -0.01 0.00 1.08 0.00 0.00 40.66 43.29 2kbx h LEU 71 CO -0.59 -0.36 -0.09 0.45 -1.08 0.00 0.00 178.44 176.78 2kbx h HIS 72 N -0.36 -0.25 -0.55 1.13 3.86 -1.54 1.05 115.15 118.49 2kbx h HIS 72 Ca 0.12 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.44 2kbx h HIS 72 Cb 0.56 0.10 -0.11 0.00 1.06 0.00 0.00 27.41 29.02 2kbx h HIS 72 CO -0.48 -0.11 -0.22 -0.07 0.86 0.00 0.00 177.93 177.91 2kbx h LEU 73 N -0.15 -0.79 0.12 2.43 3.38 -1.16 1.75 115.31 120.89 2kbx h LEU 73 Ca -0.01 0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.17 2kbx h LEU 73 Cb 0.14 0.44 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2kbx h LEU 73 CO -0.03 -0.25 -0.26 0.00 0.09 0.00 0.00 178.44 177.99 2kbx h ALA 74 N 1.30 -0.44 0.00 1.53 0.00 0.25 -1.29 119.26 120.61 2kbx h ALA 74 Ca 0.25 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2kbx h ALA 74 Cb 0.49 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2kbx h ALA 74 CO -0.61 -0.80 -0.20 0.00 0.00 0.00 0.00 179.25 177.64 2kbx h ALA 75 N 0.27 1.15 -0.46 0.00 0.00 0.24 -2.96 119.26 117.50 2kbx h ALA 75 Ca 0.03 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.78 2kbx h ALA 75 Cb 0.49 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2kbx h ALA 75 CO -0.15 0.25 0.26 0.77 0.00 0.00 0.00 179.25 180.38 2kbx h SER 76 N 0.00 0.41 0.53 0.00 0.02 0.38 -3.15 113.55 111.75 2kbx h SER 76 Ca -0.00 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 2kbx h SER 76 Cb 0.57 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.04 2kbx h SER 76 CO 0.03 0.29 -0.26 -0.74 -1.14 0.00 0.00 176.83 175.01 2kbx h HIS 77 N 0.52 -0.66 0.00 3.45 6.17 -1.32 -3.45 115.15 119.86 2kbx h HIS 77 Ca 0.19 -0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.25 2kbx h HIS 77 Cb 0.04 0.22 0.00 0.00 2.52 0.00 0.00 27.41 30.19 2kbx h HIS 77 CO -0.08 -0.41 0.00 0.41 0.71 0.00 0.00 177.93 178.56 2kbx n GLY 78 N -0.05 -0.20 3.57 5.26 0.00 -1.15 -5.04 105.19 107.59 2kbx n GLY 78 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 2kbx n GLY 78 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2kbx s HIS 79 N -0.66 1.96 0.54 1.61 4.02 -1.25 -4.76 115.29 116.74 2kbx s HIS 79 Ca 0.00 0.35 0.26 0.00 1.02 0.00 0.00 55.06 56.69 2kbx s HIS 79 Cb 0.00 -4.13 1.42 0.00 -1.02 0.00 0.00 32.58 28.86 2kbx s HIS 79 CO 0.00 -1.63 1.99 0.07 1.02 0.00 0.00 174.74 176.20 2kbx h ARG 80 N 10.58 0.00 0.66 1.40 -0.00 -1.97 -2.84 114.38 122.20 2kbx h ARG 80 Ca 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 60.11 2kbx h ARG 80 Cb 0.98 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.94 2kbx h ARG 80 CO 1.25 0.00 -0.47 0.22 -0.00 0.00 0.00 179.97 180.96 2kbx h ASP 81 N 0.00 -1.23 -0.15 0.08 3.58 -1.99 -0.10 116.42 116.60 2kbx h ASP 81 Ca 0.25 0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.79 2kbx h ASP 81 Cb 1.02 0.38 -0.01 0.00 1.72 0.00 0.00 39.33 42.44 2kbx h ASP 81 CO -0.00 -0.69 0.10 -0.29 -2.88 0.00 0.00 179.24 175.48 2kbx h ILE 82 N -1.08 1.02 0.56 2.25 2.10 -1.91 -2.37 117.51 118.08 2kbx h ILE 82 Ca -0.09 -0.06 -0.03 0.00 1.08 0.00 0.00 64.86 65.77 2kbx h ILE 82 Cb 0.89 0.83 0.01 0.00 -1.09 0.00 0.00 36.82 37.45 2kbx h ILE 82 CO 0.04 0.03 -0.27 0.58 -1.08 0.00 0.00 178.15 177.46 2kbx h VAL 83 N 0.17 0.00 -0.99 2.19 2.07 -1.27 -2.83 116.25 115.59 2kbx h VAL 83 Ca 0.06 -0.12 0.25 0.00 0.82 0.00 0.00 66.70 67.71 2kbx h VAL 83 Cb 0.04 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.68 2kbx h VAL 83 CO -0.01 0.00 0.57 1.56 0.02 0.00 0.00 177.57 179.70 2kbx h GLN 84 N -0.87 0.52 0.50 1.57 4.20 -0.84 1.54 115.11 121.74 2kbx h GLN 84 Ca -0.08 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 2kbx h GLN 84 Cb 0.57 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.21 2kbx h GLN 84 CO 0.13 0.35 -0.49 0.87 -0.67 0.00 0.00 178.83 179.01 2kbx h LYS 85 N 0.54 -0.96 0.00 1.46 1.79 -1.30 -2.33 116.57 115.78 2kbx h LYS 85 Ca 0.64 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 59.17 2kbx h LYS 85 Cb 1.23 0.22 0.00 0.00 -1.58 0.00 0.00 32.23 32.10 2kbx h LYS 85 CO -0.49 -0.64 -0.97 1.47 -1.08 0.00 0.00 179.45 177.74 2kbx n LEU 86 N -5.56 0.68 0.24 2.94 -0.00 -0.84 -3.83 117.00 110.63 2kbx n LEU 86 Ca -0.12 0.18 0.16 0.00 -0.00 0.00 0.00 56.01 56.22 2kbx n LEU 86 Cb 0.46 -0.10 0.58 0.00 -0.00 0.00 0.00 43.42 44.36 2kbx n LEU 86 CO 0.27 -0.07 0.95 0.25 -0.00 0.00 0.00 177.39 178.78 2kbx h LEU 87 N 0.00 0.00 0.00 1.47 6.46 0.22 -2.70 115.31 120.76 2kbx h LEU 87 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2kbx h LEU 87 Cb 0.85 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.78 2kbx h LEU 87 CO 0.00 0.00 -1.09 0.00 -0.62 0.00 0.00 178.44 176.73 2kbx n GLN 88 N -2.90 0.17 0.09 1.25 6.02 -0.88 -2.15 117.38 118.98 2kbx n GLN 88 Ca 0.01 -0.03 -0.04 0.00 -0.01 0.00 0.00 57.00 56.93 2kbx n GLN 88 Cb 0.32 -1.53 -0.01 0.00 1.02 0.00 0.00 30.24 30.05 2kbx n GLN 88 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 2kbx h TYR 89 N 0.00 0.00 0.00 1.08 -1.99 -1.59 -3.38 116.97 111.09 2kbx h TYR 89 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2kbx h TYR 89 Cb 0.63 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.36 2kbx h TYR 89 CO 0.00 0.83 0.00 0.36 -0.00 0.00 0.00 178.16 179.35 2kbx n LYS 90 N -3.48 1.48 -4.12 4.88 2.85 -1.24 -5.05 118.16 113.49 2kbx n LYS 90 Ca -0.00 -0.01 -0.40 0.00 -1.05 0.00 0.00 58.31 56.86 2kbx n LYS 90 Cb 0.81 -0.14 -0.02 0.00 -0.65 0.00 0.00 35.03 35.04 2kbx n LYS 90 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kbx n ALA 91 N -0.21 -2.38 1.28 0.58 0.00 -0.91 -4.78 120.51 114.08 2kbx n ALA 91 Ca 0.00 -0.49 0.09 0.00 0.00 0.00 0.00 53.44 53.04 2kbx n ALA 91 Cb 0.01 -2.09 0.35 0.00 0.00 0.00 0.00 19.45 17.72 2kbx n ALA 91 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kbx n ASP 92 N -2.47 1.47 -0.33 0.00 5.75 -1.26 -3.96 116.55 115.73 2kbx n ASP 92 Ca -0.19 -1.73 0.10 0.00 -0.01 0.00 0.00 54.79 52.97 2kbx n ASP 92 Cb 0.61 -0.11 0.28 0.00 -1.03 0.00 0.00 41.12 40.87 2kbx n ASP 92 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 2kbx h ILE 93 N 1.88 0.74 -0.00 2.12 2.10 -1.87 2.39 117.51 124.86 2kbx h ILE 93 Ca 0.00 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 65.68 2kbx h ILE 93 Cb 0.41 -0.07 0.00 0.00 -1.09 0.00 0.00 36.82 36.07 2kbx h ILE 93 CO 0.00 0.14 -0.02 -0.46 -1.08 0.00 0.00 178.15 176.73 2kbx n ASN 94 N -4.79 0.19 -3.94 2.19 0.23 -1.25 -4.50 115.26 103.39 2kbx n ASN 94 Ca 0.21 -0.74 -0.31 0.00 -0.53 0.00 0.00 54.58 53.21 2kbx n ASN 94 Cb 0.50 -0.09 -0.15 0.00 -2.08 0.00 0.00 39.78 37.95 2kbx n ASN 94 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kbx s ALA 95 N -2.23 2.19 1.12 -2.53 0.00 0.80 -5.12 121.76 115.99 2kbx s ALA 95 Ca 0.39 -1.72 -0.11 0.00 0.00 0.00 0.00 51.96 50.52 2kbx s ALA 95 Cb 0.21 -1.60 0.15 0.00 0.00 0.00 0.00 23.12 21.88 2kbx s ALA 95 CO 0.41 -1.38 0.58 0.28 0.00 0.00 0.00 175.76 175.65 2kbx n VAL 96 N 4.57 0.00 0.00 0.00 0.31 -1.24 -4.72 118.33 117.25 2kbx n VAL 96 Ca -0.07 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 2kbx n VAL 96 Cb 0.43 -1.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 2kbx n VAL 96 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2kbx n ASN 97 N -3.92 0.00 -0.10 4.52 5.03 -1.26 -4.99 115.26 114.55 2kbx n ASN 97 Ca 0.08 0.00 0.03 0.00 0.87 0.00 0.00 54.58 55.56 2kbx n ASN 97 Cb 0.30 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 39.06 2kbx n ASN 97 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 2kbx n GLU 98 N 0.00 3.01 0.00 3.52 0.28 -1.26 -4.48 120.64 121.72 2kbx n GLU 98 Ca 0.00 -0.35 0.12 0.00 -0.16 0.00 0.00 57.16 56.76 2kbx n GLU 98 Cb 0.00 -0.89 0.12 0.00 1.43 0.00 0.00 31.44 32.09 2kbx n GLU 98 CO 0.00 0.00 0.00 -2.39 -0.16 0.00 0.00 177.13 174.58 2kbx n HIS 99 N -0.52 0.00 -0.60 -1.84 1.44 -1.26 -4.91 115.22 107.53 2kbx n HIS 99 Ca 0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 2kbx n HIS 99 Cb 0.11 -0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.18 2kbx n HIS 99 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2kbx n GLY 100 N 1.39 1.48 3.57 -1.39 0.00 -1.26 -4.91 105.19 104.07 2kbx n GLY 100 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 2kbx n GLY 100 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kbx s ASN 101 N -3.18 4.86 0.41 1.61 0.02 -1.26 -4.73 114.94 112.67 2kbx s ASN 101 Ca 0.00 -0.97 -0.26 0.00 -1.02 0.00 0.00 52.86 50.60 2kbx s ASN 101 Cb 0.00 -2.57 -0.09 0.00 0.02 0.00 0.00 41.25 38.61 2kbx s ASN 101 CO 0.00 -3.11 1.36 -0.69 0.02 0.00 0.00 177.10 174.67 2kbx s VAL 102 N 11.35 2.42 0.32 1.60 1.01 -1.26 -4.66 120.40 131.17 2kbx s VAL 102 Ca 0.72 0.38 0.11 0.00 0.00 0.00 0.00 61.98 63.19 2kbx s VAL 102 Cb -0.05 -3.23 0.32 0.00 0.00 0.00 0.00 36.38 33.42 2kbx s VAL 102 CO 0.06 0.06 1.68 -0.65 0.00 0.00 0.00 175.10 176.26 2kbx h PRO 103 N 2.68 0.39 -0.26 2.72 0.11 -1.91 0.12 132.00 135.85 2kbx h PRO 103 Ca -0.50 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 2kbx h PRO 103 Cb 1.25 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2kbx h PRO 103 CO 0.63 0.26 0.16 1.25 -0.21 0.00 0.00 178.00 180.08 2kbx h LEU 104 N 0.40 0.30 -1.16 2.35 5.85 -1.95 -0.00 115.31 121.11 2kbx h LEU 104 Ca 0.67 -0.04 0.26 0.00 0.84 0.00 0.00 57.88 59.61 2kbx h LEU 104 Cb 1.42 -0.08 -0.11 0.00 0.37 0.00 0.00 40.66 42.26 2kbx h LEU 104 CO -0.56 0.26 0.63 0.45 -0.34 0.00 0.00 178.44 178.88 2kbx h HIS 105 N 0.33 0.86 0.10 1.25 3.86 -1.11 0.21 115.15 120.64 2kbx h HIS 105 Ca 0.09 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 2kbx h HIS 105 Cb 0.01 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.23 2kbx h HIS 105 CO -0.05 0.04 -0.05 1.88 0.86 0.00 0.00 177.93 180.62 2kbx h TYR 106 N 0.48 -0.13 -0.88 2.45 0.05 -1.05 0.55 116.97 118.44 2kbx h TYR 106 Ca 0.64 -0.00 0.19 0.00 0.05 0.00 0.00 58.73 59.60 2kbx h TYR 106 Cb 1.40 0.04 -0.07 0.00 1.01 0.00 0.00 36.73 39.12 2kbx h TYR 106 CO -0.00 0.38 0.58 0.00 -1.05 0.00 0.00 178.16 178.07 2kbx h ALA 107 N -0.12 2.12 0.20 3.88 0.00 0.50 -0.84 119.26 125.00 2kbx h ALA 107 Ca -0.01 0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 2kbx h ALA 107 Cb 0.57 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.34 2kbx h ALA 107 CO 0.02 -0.39 -1.52 0.00 0.00 0.00 0.00 179.25 177.36 2kbx h PHE 109 N 0.12 0.00 0.00 0.00 3.57 0.50 -2.82 116.94 118.30 2kbx h PHE 109 Ca -0.26 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.12 2kbx h PHE 109 Cb 2.11 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.83 2kbx h PHE 109 CO 0.10 0.00 -1.14 0.91 -2.23 0.00 0.00 178.31 175.95 2kbx n TRP 110 N -2.83 0.49 0.00 0.41 7.02 -0.71 -5.06 117.44 116.76 2kbx n TRP 110 Ca -0.02 0.21 0.00 0.00 -1.02 0.00 0.00 57.50 56.67 2kbx n TRP 110 Cb 0.13 -0.78 0.00 0.00 -2.42 0.00 0.00 31.31 28.24 2kbx n TRP 110 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2kbx n GLY 111 N 1.47 0.23 2.51 6.99 0.00 -0.86 -5.12 105.19 110.42 2kbx n GLY 111 Ca -0.22 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.03 2kbx n GLY 111 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kbx s GLN 112 N 0.00 1.17 0.11 1.61 -1.52 -1.02 -4.99 119.66 115.01 2kbx s GLN 112 Ca 0.00 -2.23 -0.20 0.00 -1.95 0.00 0.00 55.36 50.98 2kbx s GLN 112 Cb 0.00 -1.83 -0.07 0.00 -0.22 0.00 0.00 33.01 30.89 2kbx s GLN 112 CO 0.00 -1.33 1.74 0.38 -0.25 0.00 0.00 175.29 175.83 2kbx h ASP 113 N 5.84 0.24 -0.10 5.90 2.03 -1.98 -2.40 116.42 125.94 2kbx h ASP 113 Ca 0.20 -0.04 0.02 0.00 -0.73 0.00 0.00 57.03 56.48 2kbx h ASP 113 Cb 0.89 -0.06 -0.05 0.00 -0.83 0.00 0.00 39.33 39.28 2kbx h ASP 113 CO 0.43 0.21 -0.41 0.06 -1.03 0.00 0.00 179.24 178.49 2kbx h GLN 114 N 0.24 -0.43 -0.25 4.15 -0.00 -2.00 -0.41 115.11 116.41 2kbx h GLN 114 Ca 0.07 0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.75 2kbx h GLN 114 Cb 0.01 0.10 -0.01 0.00 -0.00 0.00 0.00 27.48 27.58 2kbx h GLN 114 CO -0.01 -0.29 0.16 -0.39 -0.00 0.00 0.00 178.83 178.29 2kbx h VAL 115 N -0.45 1.07 0.00 1.86 -1.51 -1.92 -0.80 116.25 114.50 2kbx h VAL 115 Ca 0.02 -0.15 -0.05 0.00 -1.23 0.00 0.00 66.70 65.29 2kbx h VAL 115 Cb 0.52 0.71 -0.01 0.00 -2.13 0.00 0.00 31.29 30.38 2kbx h VAL 115 CO -0.33 0.07 -0.23 0.00 -1.23 0.00 0.00 177.57 175.85 2kbx h ALA 116 N 1.83 1.62 0.02 5.19 0.00 -0.70 -2.26 119.26 124.96 2kbx h ALA 116 Ca 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2kbx h ALA 116 Cb -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2kbx h ALA 116 CO -0.02 0.29 -0.01 1.49 0.00 0.00 0.00 179.25 181.00 2kbx h GLU 117 N 0.00 -0.03 -0.59 0.00 4.57 0.37 -2.81 114.58 116.10 2kbx h GLU 117 Ca -0.00 0.00 0.10 0.00 -1.18 0.00 0.00 59.36 58.28 2kbx h GLU 117 Cb 0.41 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.97 2kbx h GLU 117 CO 0.03 0.54 0.40 -0.44 -1.18 0.00 0.00 179.01 178.36 2kbx h ASP 118 N -0.62 0.35 0.53 1.04 3.32 -1.23 0.17 116.42 119.97 2kbx h ASP 118 Ca -0.00 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 2kbx h ASP 118 Cb 0.58 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.07 2kbx h ASP 118 CO 0.01 0.21 -0.26 -0.07 -1.72 0.00 0.00 179.24 177.41 2kbx h LEU 119 N 0.39 -0.60 -1.42 1.55 3.38 -1.37 -2.87 115.31 114.37 2kbx h LEU 119 Ca 0.27 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2kbx h LEU 119 Cb 0.55 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2kbx h LEU 119 CO -0.07 -0.20 0.00 1.62 0.09 0.00 0.00 178.44 179.88 2kbx h VAL 120 N -1.14 0.00 0.00 1.22 3.04 -1.23 0.92 116.25 119.06 2kbx h VAL 120 Ca -0.07 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 2kbx h VAL 120 Cb 0.59 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 2kbx h VAL 120 CO 0.12 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 176.68 2kbx n ALA 121 N -1.85 2.38 0.01 3.17 0.00 0.58 -2.63 120.51 122.17 2kbx n ALA 121 Ca -0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.25 2kbx n ALA 121 Cb 0.13 -1.43 -0.11 0.00 0.00 0.00 0.00 19.45 18.03 2kbx n ALA 121 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2kbx h ASN 122 N 0.00 0.00 0.00 0.00 4.21 -0.73 -3.48 115.58 115.58 2kbx h ASN 122 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2kbx h ASN 122 Cb 0.18 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 2kbx h ASN 122 CO 0.00 0.84 0.00 0.61 -1.29 0.00 0.00 177.43 177.59 2kbx n GLY 123 N 1.47 -0.28 0.25 2.83 0.00 -1.08 -5.01 105.19 103.37 2kbx n GLY 123 Ca -0.12 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.06 2kbx n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kbx h ALA 124 N 0.00 1.00 -2.30 4.61 0.00 -1.72 -3.49 119.26 117.36 2kbx h ALA 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kbx h ALA 124 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kbx h ALA 124 CO 0.00 0.00 -0.55 -0.11 0.00 0.00 0.00 179.25 178.59 2kbx n LEU 125 N -2.98 -3.35 0.09 0.00 -0.00 -1.26 -4.65 117.00 104.84 2kbx n LEU 125 Ca 0.01 1.86 0.12 0.00 -0.00 0.00 0.00 56.01 58.00 2kbx n LEU 125 Cb 0.33 -1.38 0.16 0.00 -0.00 0.00 0.00 43.42 42.53 2kbx n LEU 125 CO 0.27 -0.09 0.38 1.62 -0.00 0.00 0.00 177.39 179.57 2kbx h VAL 126 N 1.42 0.00 -0.66 1.96 3.04 -1.95 -3.32 116.25 116.73 2kbx h VAL 126 Ca 0.00 -0.64 -0.38 0.00 -1.01 0.00 0.00 66.70 64.67 2kbx h VAL 126 Cb 0.00 1.28 -0.20 0.00 -2.01 0.00 0.00 31.29 30.36 2kbx h VAL 126 CO 0.00 0.00 0.49 -1.54 -1.01 0.00 0.00 177.57 175.51 2kbx n SER 127 N -2.33 4.76 0.24 3.17 3.41 -1.26 -4.56 113.62 117.04 2kbx n SER 127 Ca 0.03 -3.16 -0.15 0.00 -0.26 0.00 0.00 58.87 55.32 2kbx n SER 127 Cb 0.47 -0.84 -0.08 0.00 -0.26 0.00 0.00 64.21 63.51 2kbx n SER 127 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2kbx h ILE 128 N 0.79 0.40 -0.70 -1.33 2.04 -1.83 -3.49 117.51 113.39 2kbx h ILE 128 Ca 0.42 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.28 2kbx h ILE 128 Cb 1.74 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 2kbx h ILE 128 CO 0.86 0.00 0.00 0.00 0.00 0.00 0.00 178.15 179.01 2kbx s ASN 130 N 0.00 2.71 0.58 0.00 3.04 -1.25 -4.63 114.94 115.40 2kbx s ASN 130 Ca 0.00 1.24 0.21 0.00 0.04 0.00 0.00 52.86 54.35 2kbx s ASN 130 Cb 0.00 -1.91 1.16 0.00 -1.54 0.00 0.00 41.25 38.96 2kbx s ASN 130 CO 0.00 -3.08 1.62 0.11 -3.04 0.00 0.00 177.10 172.71 2kbx h LYS 131 N -1.86 0.00 -0.04 0.43 6.56 -1.91 2.06 116.57 121.81 2kbx h LYS 131 Ca -0.54 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.05 2kbx h LYS 131 Cb 1.32 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.98 2kbx h LYS 131 CO 0.57 0.00 0.00 0.66 -2.06 0.00 0.00 179.45 178.62 2kbx n TYR 132 N -2.62 0.13 -1.29 -1.35 4.01 -1.26 -4.91 117.16 109.87 2kbx n TYR 132 Ca -0.01 -0.97 -0.10 0.00 -0.16 0.00 0.00 57.90 56.65 2kbx n TYR 132 Cb 0.46 -0.17 -0.04 0.00 -0.31 0.00 0.00 39.34 39.28 2kbx n TYR 132 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kbx n GLY 133 N -1.29 1.05 3.56 2.72 0.00 0.70 -4.87 105.19 107.05 2kbx n GLY 133 Ca 0.16 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 2kbx n GLY 133 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kbx s GLU 134 N -2.64 3.15 0.32 1.61 2.12 -1.25 -4.41 118.70 117.59 2kbx s GLU 134 Ca 0.00 -0.88 0.09 0.00 0.36 0.00 0.00 54.97 54.55 2kbx s GLU 134 Cb 0.00 -5.25 -0.05 0.00 0.26 0.00 0.00 34.13 29.09 2kbx s GLU 134 CO 0.00 -2.79 -0.02 0.00 -0.54 0.00 0.00 175.26 171.91 2kbx s MET 135 N 5.80 2.05 0.48 4.30 0.23 -1.26 -3.77 119.30 127.13 2kbx s MET 135 Ca 0.57 -1.71 0.27 0.00 -1.03 0.00 0.00 55.69 53.80 2kbx s MET 135 Cb -0.02 -1.94 1.32 0.00 -1.53 0.00 0.00 34.83 32.66 2kbx s MET 135 CO -0.03 0.20 1.83 -1.35 -2.03 0.00 0.00 175.02 173.63 2kbx h PRO 136 N 1.89 0.18 -0.61 3.16 0.11 -1.92 -2.00 132.00 132.80 2kbx h PRO 136 Ca -0.43 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.80 2kbx h PRO 136 Cb 1.25 -0.04 -0.10 0.00 0.11 0.00 0.00 31.00 32.22 2kbx h PRO 136 CO 0.65 0.12 0.03 -0.39 -0.21 0.00 0.00 178.00 178.20 2kbx h VAL 137 N 0.19 0.53 0.01 3.15 -1.51 -1.95 2.08 116.25 118.74 2kbx h VAL 137 Ca 0.52 -0.05 -0.03 0.00 -1.23 0.00 0.00 66.70 65.91 2kbx h VAL 137 Cb 1.70 0.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 2kbx h VAL 137 CO -0.12 0.03 -0.10 -0.78 -1.23 0.00 0.00 177.57 175.36 2kbx h ASP 138 N 0.15 0.08 0.21 4.19 1.82 -1.72 -2.57 116.42 118.57 2kbx h ASP 138 Ca 0.32 -0.86 0.00 0.00 -0.39 0.00 0.00 57.03 56.10 2kbx h ASP 138 Cb 0.51 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.50 2kbx h ASP 138 CO -0.49 0.93 0.00 0.29 -1.61 0.00 0.00 179.24 178.36 2kbx n LYS 139 N -4.60 0.02 0.02 0.28 5.02 -0.96 -1.15 118.16 116.79 2kbx n LYS 139 Ca -0.10 0.36 -0.22 0.00 -2.02 0.00 0.00 58.31 56.33 2kbx n LYS 139 Cb 0.47 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.84 2kbx n LYS 139 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kbx h ALA 140 N 2.24 0.34 -0.12 7.82 0.00 0.36 -3.35 119.26 126.54 2kbx h ALA 140 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 54.91 53.60 2kbx h ALA 140 Cb 0.10 0.63 0.00 0.00 0.00 0.00 0.00 17.79 18.52 2kbx h ALA 140 CO 0.00 1.20 0.00 0.36 0.00 0.00 0.00 179.25 180.81 2kbx n LYS 141 N -3.55 1.83 -0.09 0.00 2.85 -0.72 -1.78 118.16 116.70 2kbx n LYS 141 Ca -0.30 -1.23 -0.22 0.00 -1.05 0.00 0.00 58.31 55.52 2kbx n LYS 141 Cb 1.04 -1.44 -0.12 0.00 -0.65 0.00 0.00 35.03 33.87 2kbx n LYS 141 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kbx n ALA 142 N 0.46 0.80 -0.19 0.58 0.00 -0.30 -4.32 120.51 117.54 2kbx n ALA 142 Ca 0.17 -0.51 -0.08 0.00 0.00 0.00 0.00 53.44 53.03 2kbx n ALA 142 Cb 0.39 -0.57 0.02 0.00 0.00 0.00 0.00 19.45 19.28 2kbx n ALA 142 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2kbx h PRO 143 N -0.85 0.77 0.00 0.00 0.11 -1.74 -3.46 132.00 126.83 2kbx h PRO 143 Ca -0.37 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kbx h PRO 143 Cb 1.41 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2kbx h PRO 143 CO -0.17 0.64 0.00 -0.11 -0.21 0.00 0.00 178.00 178.14 2kbx n LEU 144 N -4.57 0.00 0.00 2.35 0.00 -1.26 -5.08 117.00 108.44 2kbx n LEU 144 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.04 2kbx n LEU 144 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.54 2kbx n LEU 144 CO 0.37 0.00 0.30 -1.14 0.00 0.00 0.00 177.39 176.92 2kbx n ARG 145 N 0.00 0.00 -0.17 1.96 3.00 -0.88 -4.69 116.66 115.88 2kbx n ARG 145 Ca 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 57.85 58.02 2kbx n ARG 145 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 32.46 31.36 2kbx n ARG 145 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2kbx n GLU 146 N -0.89 0.00 -0.01 -0.14 2.13 -0.73 -4.71 120.64 116.29 2kbx n GLU 146 Ca 0.00 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.71 2kbx n GLU 146 Cb 0.00 -4.07 -0.09 0.00 0.27 0.00 0.00 31.44 27.55 2kbx n GLU 146 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2kbx h LEU 147 N 0.00 -0.07 -0.76 4.31 4.07 -1.86 -2.93 115.31 118.07 2kbx h LEU 147 Ca 0.00 -0.57 0.00 0.00 0.08 0.00 0.00 57.88 57.39 2kbx h LEU 147 Cb 0.00 0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.76 2kbx h LEU 147 CO 0.00 0.62 0.00 0.17 -1.08 0.00 0.00 178.44 178.15 2kbx h LEU 148 N -0.85 0.00 0.20 1.67 -0.00 -1.94 -2.75 115.31 111.65 2kbx h LEU 148 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.86 2kbx h LEU 148 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 2kbx h LEU 148 CO 0.01 0.00 -0.10 -0.09 -0.00 0.00 0.00 178.44 178.27 2kbx h ARG 149 N 0.00 -0.26 -0.61 0.17 9.65 -1.90 1.44 114.38 122.87 2kbx h ARG 149 Ca 0.00 0.02 -0.06 0.00 -1.10 0.00 0.00 59.98 58.84 2kbx h ARG 149 Cb 0.52 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.13 2kbx h ARG 149 CO 0.00 -0.09 0.16 1.05 2.80 0.00 0.00 179.97 183.89 2kbx h GLU 150 N -0.39 0.98 0.00 0.20 4.11 -1.34 1.00 114.58 119.13 2kbx h GLU 150 Ca -0.03 -0.23 -0.06 0.00 0.07 0.00 0.00 59.36 59.11 2kbx h GLU 150 Cb 0.30 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2kbx h GLU 150 CO 0.05 0.89 -0.27 -0.09 0.07 0.00 0.00 179.01 179.66 2kbx h ARG 151 N 0.89 0.00 0.00 1.06 9.65 -1.19 -0.90 114.38 123.89 2kbx h ARG 151 Ca 0.19 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.07 2kbx h ARG 151 Cb 0.35 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.93 2kbx h ARG 151 CO 0.00 0.27 -0.00 0.00 2.80 0.00 0.00 179.97 183.04 2kbx h ALA 152 N 1.73 -0.00 0.00 2.80 0.00 0.30 -3.14 119.26 120.95 2kbx h ALA 152 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2kbx h ALA 152 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2kbx h ALA 152 CO 0.04 -0.00 0.00 1.05 0.00 0.00 0.00 179.25 180.33 2kbx h GLU 153 N -0.99 0.00 -0.01 0.00 -0.00 0.11 0.10 114.58 113.79 2kbx h GLU 153 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 2kbx h GLU 153 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.73 2kbx h GLU 153 CO 0.00 0.00 -0.25 1.17 -0.00 0.00 0.00 179.01 179.93 2kbx n LYS 154 N -3.00 0.85 0.06 1.06 4.81 -0.36 -3.76 118.16 117.84 2kbx n LYS 154 Ca -0.02 -0.50 -0.07 0.00 -0.87 0.00 0.00 58.31 56.85 2kbx n LYS 154 Cb 0.12 -1.49 -0.12 0.00 0.02 0.00 0.00 35.03 33.56 2kbx n LYS 154 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 2kbx h MET 155 N 1.22 0.02 0.00 1.64 4.05 -0.73 -3.47 114.93 117.65 2kbx h MET 155 Ca 0.00 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2kbx h MET 155 Cb 0.50 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.32 2kbx h MET 155 CO 0.00 1.01 0.00 0.41 0.23 0.00 0.00 176.91 178.56 2kbx n GLY 156 N 1.34 -0.15 0.11 1.39 0.00 -1.24 -5.02 105.19 101.61 2kbx n GLY 156 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2kbx n GLY 156 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2kbx h GLN 157 N 0.00 0.29 0.02 1.61 7.50 -1.74 -3.37 115.11 119.42 2kbx h GLN 157 Ca 0.00 -0.50 -0.39 0.00 0.50 0.00 0.00 58.65 58.26 2kbx h GLN 157 Cb 0.00 0.19 -0.06 0.00 0.05 0.00 0.00 27.48 27.66 2kbx h GLN 157 CO 0.00 1.24 -2.20 -1.71 -1.50 0.00 0.00 178.83 174.65 2kbx n ASN 158 N -3.54 1.97 -3.95 1.46 4.05 -1.25 -4.52 115.26 109.47 2kbx n ASN 158 Ca -0.09 0.20 -0.42 0.00 0.45 0.00 0.00 54.58 54.72 2kbx n ASN 158 Cb 1.03 -0.74 0.00 0.00 1.23 0.00 0.00 39.78 41.30 2kbx n ASN 158 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2kbx n LEU 159 N -3.89 6.38 -4.47 1.20 7.99 -1.25 -4.91 117.00 118.05 2kbx n LEU 159 Ca -0.45 -4.23 -0.40 0.00 -0.01 0.00 0.00 56.01 50.93 2kbx n LEU 159 Cb 0.90 -1.63 -0.11 0.00 -0.11 0.00 0.00 43.42 42.47 2kbx n LEU 159 CO 0.18 0.97 -0.16 0.54 -1.51 0.00 0.00 177.39 177.42 2kbx s ASN 160 N 2.86 5.79 0.84 -1.43 2.20 -1.26 -4.73 114.94 119.22 2kbx s ASN 160 Ca 0.46 -0.56 -0.15 0.00 -0.94 0.00 0.00 52.86 51.68 2kbx s ASN 160 Cb 0.10 -2.06 -0.01 0.00 -2.00 0.00 0.00 41.25 37.28 2kbx s ASN 160 CO -0.03 -0.24 0.37 -2.11 -2.94 0.00 0.00 177.10 172.14 2kbx n ARG 161 N 5.04 0.00 -1.58 3.55 1.85 -1.26 -4.70 116.66 119.55 2kbx n ARG 161 Ca -0.13 0.04 -0.44 0.00 -1.00 0.00 0.00 57.85 56.32 2kbx n ARG 161 Cb 0.49 -1.77 -0.04 0.00 -1.05 0.00 0.00 32.46 30.09 2kbx n ARG 161 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 2kbx n ILE 162 N -2.94 0.37 -2.05 8.89 3.06 -1.26 -4.92 119.36 120.51 2kbx n ILE 162 Ca 0.08 -0.39 -0.37 0.00 -2.50 0.00 0.00 62.75 59.57 2kbx n ILE 162 Cb 0.52 -2.37 0.02 0.00 0.54 0.00 0.00 39.64 38.35 2kbx n ILE 162 CO 0.00 0.00 0.00 -2.84 -2.50 0.00 0.00 176.55 171.21 2kbx s PRO 163 N 6.09 3.25 0.27 9.51 0.02 -1.26 -4.96 135.00 147.92 2kbx s PRO 163 Ca 1.01 1.89 0.11 0.00 0.02 0.00 0.00 61.00 64.02 2kbx s PRO 163 Cb -0.44 -2.14 -0.05 0.00 0.02 0.00 0.00 34.50 31.90 2kbx s PRO 163 CO 0.39 -1.00 -0.10 1.52 -0.33 0.00 0.00 177.00 177.48 2kbx s TYR 164 N -1.53 2.50 0.00 6.54 -0.85 -1.26 -4.96 117.35 117.79 2kbx s TYR 164 Ca 0.72 -0.28 0.00 0.00 -0.52 0.00 0.00 57.07 56.99 2kbx s TYR 164 Cb -0.32 -1.10 0.00 0.00 0.38 0.00 0.00 41.96 40.92 2kbx s TYR 164 CO 0.36 0.67 0.00 0.36 -1.52 0.00 0.00 175.55 175.42 2kbx n LYS 165 N -0.77 0.00 -2.48 -3.49 2.85 -1.26 -5.05 118.16 107.96 2kbx n LYS 165 Ca -0.06 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.17 2kbx n LYS 165 Cb 0.60 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.95 2kbx n LYS 165 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2kbx n ASP 166 N 0.00 -5.08 0.00 -5.58 8.00 -1.26 -4.77 116.55 107.86 2kbx n ASP 166 Ca 0.00 1.64 0.00 0.00 0.71 0.00 0.00 54.79 57.14 2kbx n ASP 166 Cb 0.00 -5.30 0.00 0.00 -0.02 0.00 0.00 41.12 35.80 2kbx n ASP 166 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2kbx n THR 167 N 1.80 0.00 -2.37 -3.53 -1.04 -1.26 -4.99 114.28 102.89 2kbx n THR 167 Ca -0.21 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 61.82 2kbx n THR 167 Cb 0.33 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.85 2kbx n THR 167 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2kbx n PHE 168 N -0.76 0.00 -0.50 -1.42 3.01 -1.26 -4.95 117.46 111.57 2kbx n PHE 168 Ca 0.00 -0.42 0.00 0.00 1.01 0.00 0.00 57.45 58.04 2kbx n PHE 168 Cb 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 2kbx n PHE 168 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 2kbx n TRP 169 N 0.37 0.00 -4.15 1.38 7.02 -1.26 -2.89 117.44 117.90 2kbx n TRP 169 Ca 0.02 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.17 2kbx n TRP 169 Cb 1.03 -1.32 -0.05 0.00 -2.42 0.00 0.00 31.31 28.56 2kbx n TRP 169 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2kbx n LYS 170 N -0.00 -1.33 -0.78 -0.99 5.02 -1.26 -5.14 118.16 113.67 2kbx n LYS 170 Ca 0.00 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 2kbx n LYS 170 Cb 0.18 -3.60 0.00 0.00 -0.02 0.00 0.00 35.03 31.59 2kbx n LYS 170 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29